C464-0766 Screening compound: N-{1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide

C464-0766 Screening compound: N-{1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide
C464-0766 Screening compound: N-{1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0766
N-{1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C464-0766

Molecular Formula

C26H33FN4O4S (C26 H33 FN4 O4 S)

Compound Name

N-{1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-{1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1-propanoyl-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(N(CC1)CCN1c(cc1)ccc1F)=O)(=O)=O)=O

InChI

InChI=1S/C26H33FN4O4S/c1-4-24(32)31-12-11-19-17-22(9-10-23(19)31)36(34,35)28-25(18(2)3)26(33)30-15-13-29(14-16-30)21-7-5-20(27)6-8-21/h5-10,17-18,25,28H,4,11-16H2,1-3H3/t25-/m0/s1

InChI Key

RGQNGKPVOSGIJW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14760160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-3.96

Polar Surface Area

77.165

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C464-0766 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C464-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0766?
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What is the minimum amount of C464-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0766
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C464-0766 available by request